6-(3-methylpiperazin-1-yl)-7H-purine

C10H14N6 — CID 62479456

IUPAC6-(3-methylpiperazin-1-yl)-7H-purine
SMILESCC1CN(c2ncnc3nc[nH]c23)CCN1
InChIInChI=1S/C10H14N6/c1-7-4-16(3-2-11-7)10-8-9(13-5-12-8)14-6-15-10/h5-7,11H,2-4H2,1H3,(H,12,13,14,15)
InChIKeyTUYZCUSDVHPRAP-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.15
Rot. Bonds1

About 6-(3-methylpiperazin-1-yl)-7H-purine

6-(3-methylpiperazin-1-yl)-7H-purine (PubChem CID 62479456) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(3-methylpiperazin-1-yl)-7H-purine.

Molecular Properties

Compound Name6-(3-methylpiperazin-1-yl)-7H-purine
PubChem CID62479456
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name6-(3-methylpiperazin-1-yl)-7H-purine
SMILESCC1CN(c2ncnc3nc[nH]c23)CCN1
InChIInChI=1S/C10H14N6/c1-7-4-16(3-2-11-7)10-8-9(13-5-12-8)14-6-15-10/h5-7,11H,2-4H2,1H3,(H,12,13,14,15)
InChIKeyTUYZCUSDVHPRAP-UHFFFAOYSA-N
XLogP0.15
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperazin-1-yl)-7H-purine?
The IUPAC name of 6-(3-methylpiperazin-1-yl)-7H-purine (CID 62479456) is 6-(3-methylpiperazin-1-yl)-7H-purine.
What is the SMILES notation for 6-(3-methylpiperazin-1-yl)-7H-purine?
The canonical SMILES for 6-(3-methylpiperazin-1-yl)-7H-purine is CC1CN(c2ncnc3nc[nH]c23)CCN1.
What is the InChIKey of 6-(3-methylpiperazin-1-yl)-7H-purine?
The InChIKey is TUYZCUSDVHPRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-7-4-16(3-2-11-7)10-8-9(13-5-12-8)14-6-15-10/h5-7,11H,2-4H2,1H3,(H,12,13,14,15).
What are the key properties of 6-(3-methylpiperazin-1-yl)-7H-purine?
6-(3-methylpiperazin-1-yl)-7H-purine has a molecular weight of 218.26 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperazin-1-yl)-7H-purine is sourced from PubChem (CID 62479456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).